Data for ST001047
| Metabolite structure | All data | F1 | F2 |
|---|---|---|---|
| 1_3-Dimethylurate | 102.59 | 100.86 | |
| 1_6-Anhydro-β-D-glucose | 324.71 | 686.21 | |
| 1_7-Dimethylxanthine | 203.91 | 137.93 | |
| 1-Methylnicotinamide | 33.75 | 45.38 | |
| 2-Aminoadipate | 169.56 | 239.76 | |
| 2-Aminobutyrate | 14.03 | 45.41 | |
| 2-Furoylglycine | 42.11 | 78.69 | |
| 2-Hydroxyisobutyrate | 46.88 | 70.70 | |
| 2-Hydroxyphenylacetate | 39.53 | 68.45 | |
| 2-Oxoglutarate | 99.00 | 128.73 | |
| 3-Aminoisobutyrate | 80.41 | 208.96 | |
| 3-Hydroxy-3-methylglutarate | 56.15 | 70.92 | |
| 3-Hydroxybutyrate | 95.89 | 414.83 | |
| 3-Hydroxyisobutyrate | 30.53 | 74.16 | |
| 3-Hydroxyisovalerate | 29.31 | 61.01 | |
| 3-Hydroxymandelate | 206.77 | 112.74 | |
| 3-Hydroxyphenylacetate | 5.29 | 42.84 | |
| 3-Indoxylsulfate | 124.48 | 223.14 | |
| 4-Aminohippurate | 84.97 | 62.80 | |
| 4-Hydroxy-3-methoxymandelate | 40.86 | 65.63 | |
| 4-Hydroxyphenylacetate | 34.73 | 70.93 | |
| 4-Hydroxyphenyllactate | 40.89 | 61.15 | |
| 5-Aminolevulinate | 298.08 | 513.90 | |
| 5-Hydroxytryptophan | 130.69 | 110.54 | |
| 6-Hydroxynicotinate | 20.41 | 24.75 | |
| Acetaminophen | 12.78 | 67.65 | |
| Acetate | 16.36 | 250.60 | |
| Acetoacetate | 70.07 | 297.19 | |
| Acetone | 30.31 | 101.68 | |
| Adipate | 18.15 | 77.90 | |
| Alanine | 94.78 | 185.50 | |
| Anserine | 302.64 | 358.60 | |
| Arginine | 30.12 | 162.06 | |
| Ascorbate | 97.54 | 550.94 | |
| Asparagine | 13.18 | 49.59 | |
| ATP | 17.97 | 29.84 | |
| Azelate | 36.72 | 92.25 | |
| Betaine | 227.62 | 266.70 | |
| Butanone | 29.62 | 64.48 | |
| Caffeine | 29.15 | 53.92 | |
| Carnitine | 61.56 | 87.91 | |
| Carnosine | 183.73 | 146.03 | |
| Chlorogenate | 7.95 | 20.00 | |
| Choline | 83.51 | 65.00 | |
| cis-Aconitate | 176.99 | 275.13 | |
| Citrate | 584.51 | 3251.71 | |
| Creatine | 252.64 | 318.69 | |
| Creatine phosphate | 438.56 | 306.97 | |
| Creatinine | 7809.06 | 10290.57 | |
| Dimethylamine | 220.29 | 336.15 | |
| Ethanol | 106.28 | 386.07 | |
| Ethanolamine | 388.15 | 478.22 | |
| Formate | 122.88 | 193.47 | |
| Fructose | 568.59 | 828.36 | |
| Fumarate | 2.08 | 11.13 | |
| Gabapentin | 80.44 | 569.25 | |
| Galactarate | 75.97 | 107.56 | |
| Galactose | 387.30 | 721.58 | |
| Glucitol | 275.51 | 621.66 | |
| Gluconate | 418.62 | 539.21 | |
| Glucose | 134.01 | 2161.50 | |
| Glucose-6-phosphate | 758.22 | 723.30 | |
| Glutamine | 212.65 | 446.60 | |
| Glycine | 243.28 | 957.07 | |
| Glycolate | 262.39 | 299.29 | |
| Glycylproline | 249.48 | 572.66 | |
| Hippurate | 3114.12 | 1556.59 | |
| Histamine | 111.36 | 170.70 | |
| Histidine | 150.59 | 219.64 | |
| Homovanillate | 34.39 | 78.49 | |
| Hypoxanthine | 17.01 | 89.32 | |
| Ibuprofen | 27.54 | 50.69 | |
| Indole-3-acetate | 79.78 | 148.51 | |
| Indole-3-lactate | 126.37 | 94.57 | |
| Isoleucine | 12.24 | 30.35 | |
| Lactate | 94.56 | 175.34 | |
| Lactose | 342.37 | 510.75 | |
| Lactulose | 372.46 | 374.65 | |
| Leucine | 6.72 | 27.18 | |
| Lysine | 20.42 | 134.27 | |
| Malonate | 407.76 | 711.24 | |
| Maltose | 436.91 | 718.65 | |
| Mandelate | 3.49 | 64.79 | |
| Mannitol | 135.43 | 663.04 | |
| Methanol | 57.68 | 117.54 | |
| Methionine | 31.69 | 51.78 | |
| Methylguanidine | 39.70 | 102.58 | |
| N-Acetylglutamine | 143.27 | 193.78 | |
| N-AcetylglutamineDerivative | 383.01 | 755.29 | |
| N-Acetylornithine | 32.74 | 118.50 | |
| N-Acetylserotonin | 44.78 | 74.65 | |
| N-Acetyltyrosine | 15.56 | 26.37 | |
| Nicotinate | 16.57 | 9.56 | |
| Nicotinic acid adenine dinucleotide | 20.63 | 12.14 | |
| N-Methylhydantoin | 64.07 | 82.30 | |
| N_N-Dimethylglycine | 20.82 | 40.74 | |
| N-Phenylacetylglycine | 160.02 | 469.50 | |
| N-Phenylacetylphenylalanine | 33.49 | 61.78 | |
| O-Acetylcarnitine | 30.06 | 82.55 | |
| O-Phosphocholine | 72.96 | 73.74 | |
| Oxypurinol | 108.52 | 407.49 | |
| Pantothenate | 29.04 | 45.20 | |
| Phenylacetate | 102.18 | 151.25 | |
| Phenylalanine | 143.12 | 265.37 | |
| Proline | 232.56 | 335.23 | |
| Propylene glycol | 46.68 | 191.78 | |
| Pyridoxine | 36.31 | 77.87 | |
| Pyroglutamate | 216.76 | 375.33 | |
| Pyruvate | 21.82 | 61.40 | |
| Sarcosine | 70.58 | 128.09 | |
| Serotonin | 126.62 | 74.37 | |
| Succinate | 5.80 | 142.12 | |
| Sucrose | 170.98 | 264.38 | |
| Taurine | 95.81 | 313.84 | |
| Threonine | 84.38 | 182.39 | |
| trans-Aconitate | 37.16 | 50.65 | |
| Trigonelline | 291.71 | 186.08 | |
| Trimethylamine | 33.61 | 36.54 | |
| Trimethylamine N-oxide | 276.61 | 284.70 | |
| Tropate | 205.56 | 255.79 | |
| Tryptophan | 139.30 | 96.27 | |
| Tyrosine | 94.94 | 94.72 | |
| Urocanate | 4.36 | 20.95 | |
| Valine | 16.48 | 28.05 | |
| Xanthine | 232.99 | 200.02 | |
| Xylose | 457.11 | 551.17 | |
| β-Alanine | 142.69 | 183.99 | |
| π-Methylhistidine | 654.97 | 284.15 | |
| τ-Methylhistidine | 196.38 | 177.43 |
Factors:
| F1 | Sample_Type:QC |
| F2 | Sample_Type:Sample |